(4-methylsulfanyl-3-nitro-phenyl)-[2-[4-(4-nitrophenyl)piperazin-1-yl]carbonylphenyl]methanone

Systemtic Name: (4-methylsulfanyl-3-nitro-phenyl)-[2-[4-(4-nitrophenyl)piperazin-1-yl]carbonylphenyl]methanone Openeye Name: (4-methylsulfanyl-3-nitro-phenyl)-[2-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl]methanone CAS Name: [4-(methylthio)-3-nitrophenyl]-[2-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]phenyl]methanone IUPAC Name: (4-methylsulfanyl-3-nitrophenyl)-[2-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl]methanone Traditional Name: [4-(methylthio)-3-nitro-phenyl]-[2-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl]methanone Formula: C25H22N4O6S MolecularWeight: 506.53038

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O6S/c1-36-23-11-6-17(16-22(23)29(34)35)24(30)20-4-2-3-5-21(20)25(31)27-14-12-26(13-15-27)18-7-9-19(10-8-18)28(32)33/h2-11,16H,12-15H2,1H3